SCHEMBL7277271

SCHEMBL7277271

COc1ccc(C[C@H](CC(=O)N(C)Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.69
▸ MAPK1 P28482 1/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ TACR1 P25103 1/20 0.54
▸ ACHE P22303 1/20 0.52
▸ LDHA P00338 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ PPARA Q07869 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ CPA1 P15085 2/20 0.49
▸ CPB1 P15086 1/20 0.49
▸ CPA3 P15088 1/20 0.49
▸ CPB2 Q96IY4 1/20 0.49
▸ ANPEP P15144 1/20 0.47
▸ ERAP2 Q6P179 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7274920 0.89 CPA1 (0.60) TDP1SMN1; SMN2TACR1KMT2ANPC1
SCHEMBL6177184 0.82 CYP1A2 (0.69) LDHAPPARGPPARAKMT2ACPA1
SCHEMBL12493647 0.80 LDHA (0.65) LDHAPPARGPPARAKMT2ACPA1
SCHEMBL7433358 0.78 CPA1 (0.53) CPA1CPB1CPA3CPB2ANPEP
SCHEMBL6178867 0.78 LDHA (0.67) ALDH1A1LDHAPPARGPPARAKMT2A
SCHEMBL10436394 0.78 LDHA (0.76) LDHAPPARGPPARAKMT2A
SCHEMBL16284888 0.78 NPC1 (0.60) LDHAPPARGPPARAKMT2ANPC1
SCHEMBL3101828 0.78 NPC1 (0.60) LDHAPPARGPPARAKMT2ANPC1
SCHEMBL7442885 0.78 KMT2A (0.77) TDP1MAPK1SMN1; SMN2ALDH1A1HTT
SCHEMBL6672877 0.78 NPC1 (0.60) LDHAPPARGPPARAKMT2ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0383635-B1 Peptides having renin inhibitory activity their preparation and use SANKYO CO (JP) 1995-07-12 — — EP disclosed
US-5378689-A Hypotensive agents; administrable by mouth SANKYO COMPANY, LIMITED (JP) 1995-01-03 — — US disclosed
EP-0383635-A2 Peptides having renin inhibitory activity their preparation and use Sankyo Company Limited (JP) 1990-08-22 — — EP disclosed
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